Structure Information
Structure

Compound Identification

SMILES

CCCCCCC\C=C/C(O)C#CC#CC(OC(C)(C)C(O)COC1=C2OC=CC2=C(OC)C2=C1OC(=O)C=C2)C=C

InChIKey

InChIKey=NSWJSXKALYPPSU-SSZFMOIBSA-N

Formula

C34H40O8

Mass

576.686

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Furanocoumarins

Intermediate Tree Nodes

Linear furanocoumarins - Psoralens

Direct Parent

5-methoxypsoralens

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

5-methoxypsoralen - Benzopyran - 1-benzopyran - Benzofuran - Fatty alcohol - Anisole - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Fatty acyl - Furan - Heteroaromatic compound - Secondary alcohol - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group.

External Descriptors

Not available

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